N'-acetyl-4-fluoronaphthalene-1-carbohydrazide

C13H11FN2O2 — CID 114088219

IUPACN'-acetyl-4-fluoronaphthalene-1-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C13H11FN2O2/c1-8(17)15-16-13(18)11-6-7-12(14)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyLGNIUCKABNAPDQ-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.76
Rot. Bonds1

About N'-acetyl-4-fluoronaphthalene-1-carbohydrazide

N'-acetyl-4-fluoronaphthalene-1-carbohydrazide (PubChem CID 114088219) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N'-acetyl-4-fluoronaphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-fluoronaphthalene-1-carbohydrazide
PubChem CID114088219
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN'-acetyl-4-fluoronaphthalene-1-carbohydrazide
SMILESCC(=O)NNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C13H11FN2O2/c1-8(17)15-16-13(18)11-6-7-12(14)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyLGNIUCKABNAPDQ-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-acetyl-4-fluoronaphthalene-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
4-fluoro-N-(2-methylbut-3-yn-2-yl)naphthalene-1-carboxamide
CID 114088227
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
CID 114088238
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-acetyl-4-fluoro-2-methylbenzohydrazide
CID 115745372
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
2,2,2-trichloro-1-(4-fluoronaphthalen-1-yl)ethanone
CID 146006982
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone
CID 114088321
methyl 4-(4-fluoronaphthalen-1-yl)-4-oxobutanoate
CID 146006988

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-fluoronaphthalene-1-carbohydrazide?
The IUPAC name of N'-acetyl-4-fluoronaphthalene-1-carbohydrazide (CID 114088219) is N'-acetyl-4-fluoronaphthalene-1-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-fluoronaphthalene-1-carbohydrazide?
The canonical SMILES for N'-acetyl-4-fluoronaphthalene-1-carbohydrazide is CC(=O)NNC(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of N'-acetyl-4-fluoronaphthalene-1-carbohydrazide?
The InChIKey is LGNIUCKABNAPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8(17)15-16-13(18)11-6-7-12(14)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-acetyl-4-fluoronaphthalene-1-carbohydrazide?
N'-acetyl-4-fluoronaphthalene-1-carbohydrazide has a molecular weight of 246.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-fluoronaphthalene-1-carbohydrazide is sourced from PubChem (CID 114088219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).